4-[(2,6-dinitro-4-piperidin-1-ylcarbonyl-phenyl)amino]-N-pyrimidin-2-yl-benzenesulfonamide

Systemtic Name: 4-[(2,6-dinitro-4-piperidin-1-ylcarbonyl-phenyl)amino]-N-pyrimidin-2-yl-benzenesulfonamide Openeye Name: 4-[2,6-dinitro-4-(piperidine-1-carbonyl)anilino]-N-pyrimidin-2-yl-benzenesulfonamide CAS Name: 4-[2,6-dinitro-4-[oxo(1-piperidinyl)methyl]anilino]-N-(2-pyrimidinyl)benzenesulfonamide IUPAC Name: 4-[2,6-dinitro-4-(piperidine-1-carbonyl)anilino]-N-pyrimidin-2-ylbenzenesulfonamide Traditional Name: 4-[2,6-dinitro-4-(piperidine-1-carbonyl)anilino]-N-(2-pyrimidyl)benzenesulfonamide Formula: C22H21N7O7S MolecularWeight: 527.50984

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C22H21N7O7S/c30-21(27-11-2-1-3-12-27)15-13-18(28(31)32)20(19(14-15)29(33)34)25-16-5-7-17(8-6-16)37(35,36)26-22-23-9-4-10-24-22/h4-10,13-14,25H,1-3,11-12H2,(H,23,24,26)